CID 16792219

2-(3-aminopropoxy)-1,3-dimethylbenzene hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=C(C(=CC=C1)C)OCCCN

InChI

InChI=1S/C11H17NO/c1-9-5-3-6-10(2)11(9)13-8-4-7-12/h3,5-6H,4,7-8,12H2,1-2H3

InChIKey

OYDZSDUFRFAFNI-UHFFFAOYSA-N

Compound name

3-(2,6-dimethylphenoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 179.13101 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.13829	140.0
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	148.8
[M+K]+	218.09417	145.3
[M-H]-	178.12373	143.1
[M+Na-2H]-	200.10568	146.7
[M]+	179.13046	142.6
[M]-	179.13156	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe